(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-26-[(E)-{(2E)-[1-(Diethylamino)ethylidene]hydrazono}methyl]-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-2 4-azatetracyclo[23.3.1.1^4,7.0^5,28]triaconta-1(28),2,4,9,19,21,25(29),26-octaen-13-yl acetate
[CAS# 94168-98-6]

Identification

• Name: (7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-26-[(E)-{(2E)-[1-(Diethylamino)ethylidene]hydrazono}methyl]-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-2 4-azatetracyclo[23.3.1.1^4,7.0^5,28]triaconta-1(28),2,4,9,19,21,25(29),26-octaen-13-yl acetate
• Synonyms: SPA-S 565
• Molecular Formula: C₄₄H₆₀N₄O₁₂
• Molecular Weight: 836.97
• CAS Registry Number: 94168-98-6
• SMILES: CCN(CC)/C(=N/N=C/C1=C2C(=C3C(=C1O)C4=C(C(=C3O)C)O[C@@](C4=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](/C=C/C=C(\C(=O)N2)/C)C)O)C)O)C)OC(=O)C)C)OC)C)O)/C
• InChI: 1S/C44H60N4O12/c1-13-48(14-2)27(9)47-45-20-29-34-39(54)32-31(38(29)53)33-41(26(8)37(32)52)60-44(11,42(33)55)58-19-18-30(57-12)23(5)40(59-28(10)49)25(7)36(51)24(6)35(50)21(3)16-15-17-22(4)43(56)46-34/h15-21,23-25,30,35-36,40,50-54H,13-14H2,1-12H3,(H,46,56)/b16-15+,19-18+,22-17-,45-20+,47-27+/t21-,23+,24+,25+,30-,35-,36+,40+,44-/m0/s1
• InChIKey: MPNLXDYNHVIMAT-WDJJWENTSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)